4ZTE
Crystal structure of human E-Cadherin (residues 3-213) in complex with a peptidomimetic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-16 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 120.579, 76.835, 72.772 |
| Unit cell angles | 90.00, 111.14, 90.00 |
Refinement procedure
| Resolution | 42.260 - 2.130 |
| R-factor | 0.18735 |
| Rwork | 0.185 |
| R-free | 0.22951 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zt1 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.487 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.820 | 2.250 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.129 | 0.123 |
| Number of reflections | 33775 | |
| <I/σ(I)> | 7.3 | 0.6 |
| Completeness [%] | 98.7 | 93.5 |
| Redundancy | 6 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | TRIS 0.1 M, ammonium sulfate 1.3 M, calcium chloride 80 mM |
